2,3,4,6-tetrafluoropyridine

• ChemBase ID: 93806
• Molecular Formular: C5HF4N
• Molecular Mass: 151.0617528
• Monoisotopic Mass: 151.00451192
• SMILES: n1c(c(c(cc1F)F)F)F
• Canonical SMILES: Fc1cc(F)c(c(n1)F)F
• InChI: InChI=1S/C5HF4N/c6-2-1-3(7)10-5(9)4(2)8/h1H
• InChIKey: NOQFPTRRIPJRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,6-tetrafluoropyridine
• IUPAC Traditional name: 2,3,4,6-tetrafluoropyridine
• Synonyms: 2,3,4,6-Tetrafluoropyridine; 2,3,4,6-tetrafluoropyridine; 2,3,4,6-四氟吡啶

Database IDs

• CAS Number: 3512-13-8
• EC Number: 000-000-0
• MDL Number: MFCD03001159
• Beilstein Number: 1368002
• PubChem SID: 162080471
• PubChem CID: 2783279

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1142426
• LogD (pH = 7.4): 2.1142426
• Log P: 2.1142426
• Molar Refractivity: 26.7961 cm^3
• Polarizability: 8.883659 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88-90°C; 88-90°C
• Refractive Index: 1.399; 1.3990

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1760
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98+%